| SpectraBase Spectrum ID |
3w3ra3P5Byk |
| Name |
Isopropyl 2-naphthyl ether, picrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.101564511 u |
| Formula |
C19H17N3O8 |
| InChI |
InChI=1S/C13H14O.C6H3N3O7/c1-10(2)14-13-8-7-11-5-3-4-6-12(11)9-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-10H,1-2H3;1-2,10H |
| InChIKey |
ZPHWRSBQKPYCBL-UHFFFAOYSA-N |
| Molecular Weight |
415.358 g/mol |
| SMILES |
N(=O)(=O)C1=CC(=C(C(=C1)N(=O)=O)O)N(=O)=O.CC(OC1=CC=2C=CC=CC2C=C1)C |
| Spectrum/Structure Validation Score (Raman) |
0.857402 |
